5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid

C15H15NO5S — CID 851353

IUPAC5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H15NO5S/c1-10-3-8-13(9-14(10)15(17)18)22(19,20)16-11-4-6-12(21-2)7-5-11/h3-9,16H,1-2H3,(H,17,18)
InChIKeyITRVSHJNWDCFIU-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.50
Rot. Bonds5

About 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid

5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid (PubChem CID 851353) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
PubChem CID851353
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H15NO5S/c1-10-3-8-13(9-14(10)15(17)18)22(19,20)16-11-4-6-12(21-2)7-5-11/h3-9,16H,1-2H3,(H,17,18)
InChIKeyITRVSHJNWDCFIU-UHFFFAOYSA-N
XLogP2.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid?
The IUPAC name of 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid (CID 851353) is 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid?
The canonical SMILES for 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid?
The InChIKey is ITRVSHJNWDCFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-3-8-13(9-14(10)15(17)18)22(19,20)16-11-4-6-12(21-2)7-5-11/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid?
5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid has a molecular weight of 321.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzoic acid is sourced from PubChem (CID 851353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).